Spektraris NMR
Colossolactone A
Common Name: Colossolactone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O5/c1-20(18-33)8-10-26(35)21(2)23-12-15-31(7)24-9-11-27-29(4,5)28(36)14-17-32(27,19-37-22(3)34)25(24)13-16-30(23,31)6/h8,21,23,26-28,33,35-36H,9-19H2,1-7H3/b20-8-/t21-,23+,26?,27-,28-,30+,31-,32-/m0/s1
InChIKey: InChIKey=UBOFIPWTXMSWDI-ISGKCMTKSA-N
Formula: C32H52O5
Molecular Weight: 516.753493
Exact Mass: 516.381475
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kleinwachter, P., Anh, N., Kiet, T.T., Schlegel, B., Dahse, H.M., Hartl, A., Grafe, U. J Nat Prod (2001) 64, 236-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 32.59 |
| 2 (CH2) | 27.96 |
| 3 (CH) | 78.86 |
| 4 (C) | 39.04 |
| 5 (CH) | 50.11 |
| 6 (CH2) | 17.76 |
| 7 (CH2) | 26.2 |
| 8 (C) | 137.86 |
| 9 (C) | 130.37 |
| 10 (C) | 42.18 |
| 11 (CH2) | 21.97 |
| 12 (CH2) | 30.96 |
| 13 (C) | 44.38 |
| 14 (C) | 50.42 |
| 15 (CH2) | 30.71 |
| 16 (CH2) | 27.46 |
| 17 (CH) | 47.08 |
| 18 (CH3) | 16.56 |
| 19 (CH2) | 65.83 |
| 20 (CH) | 41.62 |
| 21 (CH3) | 12.02 |
| 22 (CH) | 72.73 |
| 23 (CH2) | 33.98 |
| 24 (CH) | 125.38 |
| 25 (C) | 137.86 |
| 26 (CH3) | 22.35 |
| 27 (CH2) | 61.39 |
| 28 (CH3) | 28.36 |
| 29 (CH3) | 15.51 |
| 30 (CH3) | 24.65 |
| 19a (C) | 170.54 |
| 19b (CH3) | 21.09 |
